2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid

C13H16N2O5S — CID 168716602

IUPAC2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C13H16N2O5S/c1-8-2-4-9(5-3-8)12(13(17)18)15-7-10(6-11(15)16)21(14,19)20/h2-5,10,12H,6-7H2,1H3,(H,17,18)(H2,14,19,20)
InChIKeyGSJIPQLVLWQZMJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.01
Rot. Bonds4

About 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid

2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid (PubChem CID 168716602) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
PubChem CID168716602
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C13H16N2O5S/c1-8-2-4-9(5-3-8)12(13(17)18)15-7-10(6-11(15)16)21(14,19)20/h2-5,10,12H,6-7H2,1H3,(H,17,18)(H2,14,19,20)
InChIKeyGSJIPQLVLWQZMJ-UHFFFAOYSA-N
XLogP0.01
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid (CID 168716602) is 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid is Cc1ccc(C(C(=O)O)N2CC(S(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The InChIKey is GSJIPQLVLWQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-8-2-4-9(5-3-8)12(13(17)18)15-7-10(6-11(15)16)21(14,19)20/h2-5,10,12H,6-7H2,1H3,(H,17,18)(H2,14,19,20).
What are the key properties of 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid has a molecular weight of 312.35 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168716602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).